2-[2-ethoxy-4-(3-methylbutanoyl)phenoxy]acetic acid

C15H20O5 — CID 154190033

IUPAC2-[2-ethoxy-4-(3-methylbutanoyl)phenoxy]acetic acid
SMILESCCOc1cc(C(=O)CC(C)C)ccc1OCC(=O)O
InChIInChI=1S/C15H20O5/c1-4-19-14-8-11(12(16)7-10(2)3)5-6-13(14)20-9-15(17)18/h5-6,8,10H,4,7,9H2,1-3H3,(H,17,18)
InChIKeyLTXYNXABBXLLCD-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.78
Rot. Bonds8

About 2-[2-ethoxy-4-(3-methylbutanoyl)phenoxy]acetic acid

2-[2-ethoxy-4-(3-methylbutanoyl)phenoxy]acetic acid (PubChem CID 154190033) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[2-ethoxy-4-(3-methylbutanoyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-ethoxy-4-(3-methylbutanoyl)phenoxy]acetic acid
PubChem CID154190033
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Name2-[2-ethoxy-4-(3-methylbutanoyl)phenoxy]acetic acid
SMILESCCOc1cc(C(=O)CC(C)C)ccc1OCC(=O)O
InChIInChI=1S/C15H20O5/c1-4-19-14-8-11(12(16)7-10(2)3)5-6-13(14)20-9-15(17)18/h5-6,8,10H,4,7,9H2,1-3H3,(H,17,18)
InChIKeyLTXYNXABBXLLCD-UHFFFAOYSA-N
XLogP2.78
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-diethoxyphenyl)-3-methyl-5-oxopentanoic acid
CID 62934490
2-[2-ethoxy-4-(propan-2-ylcarbamoyl)phenoxy]acetic acid
CID 119179061
2-[2-ethoxy-4-(2-methylpropylcarbamoyl)phenoxy]acetic acid
CID 119179235
2-[2-ethoxy-4-[[(2S)-3-methoxybutan-2-yl]carbamoyl]phenoxy]acetic acid
CID 120700652
2-[4-(2-aminoacetyl)-2-(2-ethoxy-2-oxoethoxy)phenoxy]acetic acid
CID 23356773
2-methylpropyl 3,4-diethoxybenzoate
CID 82186382
2-(butan-2-ylamino)-1-(3,4-diethoxyphenyl)ethanone
CID 116556276
3-amino-1-(3,4-diethoxyphenyl)hexan-1-one
CID 116607978
1-(3,4-diethoxyphenyl)-2-(methylamino)ethanone
CID 116553831
2-[2-(2-nitroso-2-oxoethoxy)-4-propanoylphenoxy]acetic acid
CID 131990889
2-[4-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]-2-ethoxyphenoxy]acetic acid
CID 119182578
bis(3,4-diethoxyphenyl)methanone
CID 135325793

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-(3-methylbutanoyl)phenoxy]acetic acid?
The IUPAC name of 2-[2-ethoxy-4-(3-methylbutanoyl)phenoxy]acetic acid (CID 154190033) is 2-[2-ethoxy-4-(3-methylbutanoyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[2-ethoxy-4-(3-methylbutanoyl)phenoxy]acetic acid?
The canonical SMILES for 2-[2-ethoxy-4-(3-methylbutanoyl)phenoxy]acetic acid is CCOc1cc(C(=O)CC(C)C)ccc1OCC(=O)O.
What is the InChIKey of 2-[2-ethoxy-4-(3-methylbutanoyl)phenoxy]acetic acid?
The InChIKey is LTXYNXABBXLLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O5/c1-4-19-14-8-11(12(16)7-10(2)3)5-6-13(14)20-9-15(17)18/h5-6,8,10H,4,7,9H2,1-3H3,(H,17,18).
What are the key properties of 2-[2-ethoxy-4-(3-methylbutanoyl)phenoxy]acetic acid?
2-[2-ethoxy-4-(3-methylbutanoyl)phenoxy]acetic acid has a molecular weight of 280.32 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-(3-methylbutanoyl)phenoxy]acetic acid is sourced from PubChem (CID 154190033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).